TL;DR: 5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide (CAS 1003650-91-6) is a chemical compound with molecular formula C13H10BrClN2O and molecular weight 323.9665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
Also Known As: 5-Bromo-N-(3-chloro-benzyl)-nicotinamide, 5-Bromo-N-(3-chlorobenzyl)nicotinamide, 5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide, 3-Pyridinecarboxamide, 5-bromo-N-[(3-chlorophenyl)methyl]-
| Molecular Formula | C13H10BrClN2O |
| Molecular Weight | 323.9665 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.9665 Da |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| SMILES | C1=CC(=CC(=C1)Cl)CNC(=O)C2=CC(=CN=C2)Br |
| InChIKey | LPROUVICDDFXFF-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide. With a topological polar surface area (TPSA) of 42.0 Ų, 5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide is 1003650-91-6.
The molecular formula of 5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide is C13H10BrClN2O.
The molecular weight of 5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide is 323.9665 g/mol.
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